939986-78-4
3-[(6-CHLORO-PYRIMIDIN-4-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-[(6-CHLORO-PYRIMIDIN-4-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-[(6-CHLORO-PYRIMIDIN-4-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607843
【English Synonyms】
【Formula】
C15 H23 Cl N4 O2
【MolWeight】
326.826
【Inchi】
InChI=1S/C15H23ClN4O2/c1-15(2,3)22-14(21)20-6-4-5-11(9-20)8-17-13-7-12(16)18-10-19-13/h7,10-11H,4-6,8-9H2,1-3H3,(H,17,18,19)
【InChIKey】
InChIKey=WIQLKVQCWJDZLT-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC(C1)CNc2cc(ncn2)Cl
【MOL File】
3-[(6-CHLORO-PYRIMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-[(6-CHLORO-PYRIMIDIN-4-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml